Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 19/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.55 |
| ▸ | NCOR2 | Q9Y618 | 4/20 | 0.55 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | KDM1A | O60341 | 1/20 | 0.52 |
| ▸ | F3 | P13726 | 1/20 | 0.52 |
| ▸ | NAMPT | P43490 | 2/20 | 0.49 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL3948204 | 0.98 | HDAC1 (0.55) | HDAC1HDAC3HDAC2NCOR2HDAC11 | |
| SCHEMBL30006351 | 0.96 | HDAC1 (0.59) | HDAC1HDAC3HDAC2NCOR2HDAC11 | |
| SCHEMBL2175904 | 0.96 | HDAC1 (0.59) | HDAC1HDAC3HDAC2NCOR2HDAC11 | |
| Hydrochloric Acid SCHEMBL3943756 | 0.95 | HDAC1 (0.58) | HDAC1HDAC3HDAC2NCOR2HDAC11 | |
| Bromide SCHEMBL3943842 | 0.95 | HDAC1 (0.58) | HDAC1HDAC3HDAC2NCOR2HDAC11 | |
| Acetic Acid SCHEMBL4103112 | 0.94 | HDAC1 (0.59) | HDAC1HDAC3HDAC2NCOR2HDAC11 | |
| Phosphoric Acid SCHEMBL3948469 | 0.94 | HDAC1 (0.56) | HDAC1HDAC3HDAC2NCOR2HDAC11 | |
| SCHEMBL3941359 | 0.92 | HDAC1 (0.49) | HDAC1HDAC3HDAC2NCOR2HDAC11 | |
| Succinic Acid SCHEMBL3948465 | 0.92 | HDAC1 (0.57) | HDAC1HDAC3HDAC2NCOR2HDAC11 | |
| Lactic Acid SCHEMBL3937225 | 0.91 | HDAC1 (0.56) | HDAC1HDAC3HDAC2NCOR2HDAC11 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE40703-E1 | Cell differentiation inducer, benzamide compounds | SCHERING AKTIENGESELLSCHAFT (DE) | 2009-04-28 | — | — | US | disclosed |